canSAR1632329
FEATURES
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NAMES
    SMILES
    O=C(O)/C=C\C(=O)O.OC(CCN1CCN(CCOC(c2ccccc2)c2ccccc2)CC1)c1ccc(Br)cc1
    InChI
    InChI=1S/C28H33BrN2O2.C4H4O4/c29-26-13-11-23(12-14-26)27(32)15-16-30-17-19-31(20-18-30)21-22-33-28(24-7-3-1-4-8-24)25-9-5-2-6-10-25;5-3(6)1-2-4(7)8/h1-14,27-28,32H,15-22H2;1-2H,(H,5,6)(H,7,8)/b;2-1-
    MOLECULAR FORMULA
    C32H37BrN2O6
    CROSS REFERENCES
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    canSAR1632329
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight624.18
    AlogP5.01
    HBond donors3
    HBond acceptors8
    Atoms78
    Contains toxicophoreYes
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1632329.